Mrv1652309122216492D 26 27 0 0 0 0 999 V2000 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 8 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 3 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0329941 > NP-MRD > COC1=CC(C)(C)C(CC\C(C)=C/CC2=CC(O)=CC=C2O)=C(C)C1=O > InChI=1S/C22H28O4/c1-14(6-8-16-12-17(23)9-11-19(16)24)7-10-18-15(2)21(25)20(26-5)13-22(18,3)4/h6,9,11-13,23-24H,7-8,10H2,1-5H3/b14-6- > VVDMXCRDDIGAEP-NSIKDUERSA-N > C22H28O4 > 356.462 > 356.198759382 > 4 > 54 > 40.17371751297364 > 1 > 2 > 0 > 1 > 3-[(3Z)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-en-1-yl]-6-methoxy-2,4,4-trimethylcyclohexa-2,5-dien-1-one > 4.934945198666668 > 0 > 2 > 0 > 11.417323137801384 > 9.533350955463993 > -4.90564479827662 > 66.75999999999999 > 107.27579999999998 > 6 > 1 > 3-[(3Z)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-en-1-yl]-6-methoxy-2,4,4-trimethylcyclohexa-2,5-dien-1-one > 0 > NP0329941 > 3-[(3z)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-en-1-yl]-6-methoxy-2,4,4-trimethylcyclohexa-2,5-dien-1-one $$$$